SCHEMBL11907565

SCHEMBL11907565

NC(=O)C1[C]CCCN1c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HIF1A Q16665 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
CDC7 O00311 1/20 0.33
CDK9 P50750 1/20 0.33
CYP3A4 P08684 4/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 3/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6513376 0.73 PIM1 (0.43) CHKAHRH3
SCHEMBL1674952 0.71 MAPT (0.33) CHKAHRH3MAPTNPSR1HIF1A
SCHEMBL15992145 0.71 CHKA (0.36) CHKAHRH3MAPTNPSR1HIF1A
SCHEMBL15991903 0.71 CHKA (0.36) CHKAHRH3MAPTNPSR1HIF1A
SCHEMBL5058266 0.67 MAOA (0.35) CHKAMAPTNPSR1ITGB3ITGA2B
SCHEMBL7328758 0.66 CHKA (0.48) CHKAHRH3MAPTNPSR1ITGB3
SCHEMBL7918841 0.66 SMN1; SMN2 (0.50) CHKAMAPTNPSR1ITGB3ITGA2B
SCHEMBL6703929 0.66 SMN1; SMN2 (0.50) CHKAMAPTNPSR1ITGB3ITGA2B
SCHEMBL6173007 0.65 SMN1; SMN2 (0.46) CHKAHRH3MAPTNPSR1ITGB3
SCHEMBL4700677 0.64 SYK (0.39) CHKAMAPTNPSR1ITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 CHKA 480/4885HRH3 4473/4885MAPT 4106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.